4IA
Summary
| Name: | 4-propan-2-ylbenzoic acid |
| Formula: | C10 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 164.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-propan-2-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | CKMXAIVXVKGGFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)c1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)c1ccc(cc1)C(=O)O |
